1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine

C10H16N2 — CID 139528196

IUPAC1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine
SMILESC=C/N=C(\C=N\C=C)C(C)(C)C
InChIInChI=1S/C10H16N2/c1-6-11-8-9(12-7-2)10(3,4)5/h6-8H,1-2H2,3-5H3/b11-8+,12-9+
InChIKeyPFYBEEWXVUNAAM-HZOWPXDZSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds3

About 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine

1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine (PubChem CID 139528196) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine
PubChem CID139528196
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine
SMILESC=C/N=C(\C=N\C=C)C(C)(C)C
InChIInChI=1S/C10H16N2/c1-6-11-8-9(12-7-2)10(3,4)5/h6-8H,1-2H2,3-5H3/b11-8+,12-9+
InChIKeyPFYBEEWXVUNAAM-HZOWPXDZSA-N
XLogP2.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine (CID 139528196) is 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine is C=C/N=C(\C=N\C=C)C(C)(C)C.
What is the InChIKey of 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine?
The InChIKey is PFYBEEWXVUNAAM-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-11-8-9(12-7-2)10(3,4)5/h6-8H,1-2H2,3-5H3/b11-8+,12-9+.
What are the key properties of 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine?
1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(ethenyl)-3,3-dimethylbutane-1,2-diimine is sourced from PubChem (CID 139528196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).